id
stringlengths 36
36
| task
stringclasses 3
values | question
stringlengths 104
613
| src_smiles
stringlengths 8
519
| ref_smiles
stringlengths 8
515
| add_group
stringclasses 9
values | remove_group
stringclasses 10
values |
|---|---|---|---|---|---|---|
5b20495a-3b29-44df-8a66-cfe69be48917
|
add
|
Modify the molecule C[NH+]1CCN(c2ccc(CCCC(=O)N3CCC(c4ccc(Cl)cc4)CC3)cc2)CC1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]1CCN(c2ccc(CCCC(=O)N3CCC(c4ccc(Cl)cc4)CC3)cc2)CC1
|
C[NH+]1CCN(c2ccc(CCCC(=O)N3CCC(c4ccc(Cl)cc4)CC3C(=O)O)cc2)CC1
|
carboxyl
| null |
85185204-5c64-4ab2-8a6b-5955cef763c7
|
add
|
Please add a amine to the molecule CN(CCNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CCNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)c1ccccc1.
|
CN(CCNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)c1cccc(N)c1
|
amine
| null |
081679df-8f05-4eb8-882c-42f1932ab281
|
add
|
Please add a benzene ring to the molecule CC(C)C(C)Sc1nnc(SSc2n[nH]c(=S)s2)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(C)Sc1nnc(SSc2n[nH]c(=S)s2)s1.
|
CC(Cc1ccccc1)C(C)Sc1nnc(SSc2n[nH]c(=S)s2)s1
|
benzene
| null |
ccbdff17-a64f-4038-b0b6-b146b9be5089
|
add
|
Please add a aldehyde to the molecule CC(C)(C)C1c2cncc(n2)C1C(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C1c2cncc(n2)C1C(C)(C)C.
|
CC(C)(C)C1c2cncc(n2)C1C(C)(C)CCC=O
|
aldehyde
| null |
29ed2aca-595d-4322-98de-0ebf44f6cf77
|
add
|
Modify the molecule Cc1cc(Oc2cc(C[NH2+]CC(C)C)ccn2)ccc1Br by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Oc2cc(C[NH2+]CC(C)C)ccn2)ccc1Br
|
Cc1cc(Oc2cc(C(O)[NH2+]CC(C)C)ccn2)ccc1Br
|
hydroxyl
| null |
661d6b2a-1726-4dab-81b0-5ee7e1e4656d
|
add
|
Please add a benzene ring to the molecule [NH3+]C1(CNC(=O)CSc2ccccc2)CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1(CNC(=O)CSc2ccccc2)CCCCC1.
|
[NH3+]C1(CNC(=O)CSc2ccccc2)CCC(c3ccccc3)CC1
|
benzene
| null |
3a8fe8d3-fc0c-47ac-a53f-5a9d66b00c7a
|
add
|
Modify the molecule COc1ccccc1OCC(=O)N1CCC(C)C1CO by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1OCC(=O)N1CCC(C)C1CO
|
COc1cc(C(=O)O)ccc1OCC(=O)N1CCC(C)C1CO
|
carboxyl
| null |
483823dc-7bb2-4983-b0f1-94ecc4d6a637
|
add
|
Modify the molecule COc1ccc(CC([NH3+])CCCC(C)C)cn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CC([NH3+])CCCC(C)C)cn1
|
COc1c(O)cc(CC([NH3+])CCCC(C)C)cn1
|
hydroxyl
| null |
a4eee0c0-59b3-4314-a6c0-e11917f964e8
|
add
|
Please add a hydroxyl to the molecule O=C([O-])CC(c1cn[nH]c1)C1CCCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])CC(c1cn[nH]c1)C1CCCCCC1.
|
O=C([O-])CC(c1cn[nH]c1)C1CCCCC(O)C1
|
hydroxyl
| null |
75f84072-a929-41a6-88e3-42b605502012
|
add
|
Please add a amine to the molecule CC(C)N1CCCc2cc(C(=CC=O)c3ccccc3)ccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)N1CCCc2cc(C(=CC=O)c3ccccc3)ccc21.
|
CC(C)N1CCCc2cc(C(=CC=O)c3ccccc3)cc(N)c21
|
amine
| null |
3ec56b8f-0b72-45a3-856b-b30a8018e210
|
add
|
Modify the molecule COCC#CCSc1cnccn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC#CCSc1cnccn1
|
COCC#CCSc1nccnc1O
|
hydroxyl
| null |
d8ef612e-1762-4134-a503-67d1871183dc
|
add
|
Modify the molecule C=C1CCCOC1=CC(=CC)C(CC(=O)OC)[NH2+]CC by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C1CCCOC1=CC(=CC)C(CC(=O)OC)[NH2+]CC
|
C=C1CCCOC1=CC(=CC)C(CC(=O)OCO)[NH2+]CC
|
hydroxyl
| null |
200a7518-5a48-4bff-95e2-7e25bd75b316
|
add
|
Please add a carboxyl to the molecule C[NH2+]C1CCC(C(C)C)CC1CCOCCCOC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C1CCC(C(C)C)CC1CCOCCCOC.
|
C[NH2+]C1CCC(C(C)(C)C(=O)O)CC1CCOCCCOC
|
carboxyl
| null |
aa55238e-7ed4-4a4c-b70b-85d046ebdb51
|
add
|
Modify the molecule CCC[NH+]=C(N)NC1Cc2ccccc2C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH+]=C(N)NC1Cc2ccccc2C1
|
CCC[NH+]=C(N)NC1Cc2ccccc2C1O
|
hydroxyl
| null |
25abbcc3-10e0-484f-afa1-e0c0532c411e
|
add
|
Please add a hydroxyl to the molecule S=C(S)NCC[NH2+]C(S)S.
Please wrap the final SMILES in <smiles>...</smiles>.
|
S=C(S)NCC[NH2+]C(S)S.
|
OC(S)(S)[NH2+]CCNC(=S)S
|
hydroxyl
| null |
521bd605-d8ee-4de6-a34e-7e8cc93f9b92
|
add
|
Modify the molecule CSCCC(CO)NC(c1ccccc1)C(F)(F)F by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSCCC(CO)NC(c1ccccc1)C(F)(F)F
|
CSCCC(CO)NC(c1ccc(C(=O)O)cc1)C(F)(F)F
|
carboxyl
| null |
57b8b5e5-0572-4dda-9c95-d4dc209d3d26
|
add
|
Please add a benzene ring to the molecule NOCCc1cc2c(cc1O)OCO2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NOCCc1cc2c(cc1O)OCO2.
|
NOCCc1cc2c(cc1O)OC(c1ccccc1)O2
|
benzene
| null |
35420f96-4de3-42ae-9ef8-1e7d8e7ee51e
|
add
|
Modify the molecule O=C(Nc1nncs1)c1ccc(N(CCO)C2CCC2)nc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1nncs1)c1ccc(N(CCO)C2CCC2)nc1
|
O=C(Nc1nncs1)c1ccc(N(CCO)C2(O)CCC2)nc1
|
hydroxyl
| null |
0ede56d4-ecd4-4de8-ba93-ec9668dfa0f4
|
add
|
Please add a carboxyl to the molecule CCOc1ccc(NS(=O)(=O)c2cc(C[NH3+])sc2C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(NS(=O)(=O)c2cc(C[NH3+])sc2C)cc1.
|
Cc1sc(C[NH3+])cc1S(=O)(=O)Nc1ccc(OC(C)C(=O)O)cc1
|
carboxyl
| null |
a014af65-0731-4b05-adb8-0db909f55b64
|
add
|
Modify the molecule CCC(C)CSCC(=O)c1c(C)cc(C)cc1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)CSCC(=O)c1c(C)cc(C)cc1C
|
CCC(C)C(O)SCC(=O)c1c(C)cc(C)cc1C
|
hydroxyl
| null |
e6f0cecf-bff6-4dd3-9675-43d77ff27126
|
add
|
Please add a hydroxyl to the molecule Cc1nn(C)cc1S(=O)(=O)NCC1CCCC[NH+]1C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn(C)cc1S(=O)(=O)NCC1CCCC[NH+]1C1CC1.
|
Cc1nn(C)cc1S(=O)(=O)NCC1C(O)CCC[NH+]1C1CC1
|
hydroxyl
| null |
02e4d6b8-d898-41ba-a51a-65a38fdbb1ca
|
add
|
Modify the molecule O=C(NCC(CO)Cc1cc(F)ccc1F)c1ccccc1OCc1ccc(F)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCC(CO)Cc1cc(F)ccc1F)c1ccccc1OCc1ccc(F)cc1
|
O=C(NCC(CO)(Cc1cc(F)ccc1F)c1ccccc1)c1ccccc1OCc1ccc(F)cc1
|
benzene
| null |
18f9d5ae-0d21-4e1a-97b5-1a224a1bf3de
|
add
|
Modify the molecule C=C(C)C1CCC2([NH2+]CCN3CCN(S(C)(=O)=O)CC3)CCC3(C)C(CCC4C5(C)CC=C(C6=CCC(CF)(C(=O)OCc7ccccc7)CC6)C(C)(C)C5CCC43C)C12 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C)C1CCC2([NH2+]CCN3CCN(S(C)(=O)=O)CC3)CCC3(C)C(CCC4C5(C)CC=C(C6=CCC(CF)(C(=O)OCc7ccccc7)CC6)C(C)(C)C5CCC43C)C12
|
C=C(C)C1CCC2([NH2+]CCN3CCN(S(C)(=O)=O)CC3)CCC3(C)C(CCC4C5(C)CC=C(C6=CCC(CF)(C(=O)OCc7ccccc7)CC6)C(C)(CC(=O)O)C5CCC43C)C12
|
carboxyl
| null |
cf823295-cf05-4bbf-9125-f0fc5da85955
|
add
|
Modify the molecule CCN(CCCC[NH2+]C(C)C)c1ccccc1C by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CCCC[NH2+]C(C)C)c1ccccc1C
|
CCN(c1ccccc1C)C(N)CCC[NH2+]C(C)C
|
amine
| null |
22b9e4af-7c03-4637-a161-837fe9b635ba
|
add
|
Modify the molecule NP(OCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NP(OCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
|
NP(OCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCSC(c1ccccc1)(c1ccccc1)c1cccc(-c2ccccc2)c1
|
benzene
| null |
30bac567-8d34-43a7-848f-dbe429ecfe17
|
add
|
Modify the molecule C=CC(C)([NH3+])c1ccc(F)cc1Cl by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC(C)([NH3+])c1ccc(F)cc1Cl
|
C=C(N)C(C)([NH3+])c1ccc(F)cc1Cl
|
amine
| null |
d2bc786b-40f5-4901-8d91-5caf03aa2479
|
add
|
Modify the molecule CCOC1CC(Nc2ccc3cn[nH]c3c2)C12CCCC2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC1CC(Nc2ccc3cn[nH]c3c2)C12CCCC2
|
CCOC1CC(Nc2ccc3c(-c4ccccc4)n[nH]c3c2)C12CCCC2
|
benzene
| null |
ce3189b2-054f-40b6-9567-4d96ee442c49
|
add
|
Modify the molecule COc1ccc(C(C[NH3+])N2CCCC2)c(Cl)c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(C[NH3+])N2CCCC2)c(Cl)c1
|
COc1ccc(C(C[NH3+])N2CCCC2)c(Cl)c1N
|
amine
| null |
5342a98e-e737-456c-b94a-ec0b673af05e
|
add
|
Modify the molecule CCCCCC(C)(C[NH3+])N(CCCOC)CCOC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCC(C)(C[NH3+])N(CCCOC)CCOC
|
CCCCCC(C)(C[NH3+])N(CCOC)CCC(OC)c1ccccc1
|
benzene
| null |
8fea7fc9-c1dd-4de0-9f9e-91043d34caf1
|
add
|
Modify the molecule C=CCCCCCCCc1nnc(-c2ccccc2)c(-c2ccccc2)n1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCCCCCCCc1nnc(-c2ccccc2)c(-c2ccccc2)n1
|
C=CCCCCCC(Cc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1
|
benzene
| null |
92e28a76-859b-4a89-802b-8c890990d744
|
add
|
Modify the molecule CNc1cc[nH+]c(C(=O)N(C)CC[NH+]2CCCC2)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1cc[nH+]c(C(=O)N(C)CC[NH+]2CCCC2)c1
|
CNc1cc[nH+]c(C(=O)N(C)CC(c2ccccc2)[NH+]2CCCC2)c1
|
benzene
| null |
f45afaf6-34c9-4d82-9325-5c9a0cc096b8
|
add
|
Please add a benzene ring to the molecule CCOc1ccc(C(CC)[NH+]2CCCC(C(=O)[O-])C2)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(C(CC)[NH+]2CCCC(C(=O)[O-])C2)cc1OC.
|
CCOc1ccc(C(CC)(c2ccccc2)[NH+]2CCCC(C(=O)[O-])C2)cc1OC
|
benzene
| null |
57145fcd-b54d-415c-84c3-87b0cb8bf45c
|
add
|
Modify the molecule CCC(CC)n1ccc(CC(C)C(=O)c2ccccc2)n1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CC)n1ccc(CC(C)C(=O)c2ccccc2)n1
|
CCC(CC)n1ccc(CC(C)C(=O)c2ccccc2C(=O)O)n1
|
carboxyl
| null |
95552d78-6093-4f82-83cd-98181823c463
|
add
|
Modify the molecule Cc1ccc2[se]n(C3CCC(n4[se]c5ccc(C)cc5c4=O)CC3)c(=O)c2c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2[se]n(C3CCC(n4[se]c5ccc(C)cc5c4=O)CC3)c(=O)c2c1
|
Cc1ccc2[se]n(C3CCC(n4[se]c5ccc(C)cc5c4=O)C(N)C3)c(=O)c2c1
|
amine
| null |
062a63b2-95ef-4f97-836c-02a1c50bb905
|
add
|
Modify the molecule C[NH2+]C(C)c1sc(C(OC)C(C)(C)C)nc1C by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C(C)c1sc(C(OC)C(C)(C)C)nc1C
|
C[NH2+]C(CC(=O)O)c1sc(C(OC)C(C)(C)C)nc1C
|
carboxyl
| null |
a8b775d8-0a8d-406f-b82e-419b1651b6ab
|
add
|
Modify the molecule CCc1ccc(-c2cn3c4ccccc4nc3n2CCOC(C)=O)cc1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(-c2cn3c4ccccc4nc3n2CCOC(C)=O)cc1
|
CCc1ccc(-c2cn3c4cc(C#N)ccc4nc3n2CCOC(C)=O)cc1
|
nitrile
| null |
5ba9bc83-2802-49ec-b83f-23b83a62174d
|
add
|
Please add a benzene ring to the molecule CCCCCCCCNc1cccc(NS(N)(=O)=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCNc1cccc(NS(N)(=O)=O)c1.
|
CCC(CCCCCNc1cccc(NS(N)(=O)=O)c1)c1ccccc1
|
benzene
| null |
dd01b352-b76c-4c02-8fc1-c4d74b5a00e5
|
add
|
Modify the molecule CC1OC(C(Cc2ccccc2)N=[N+]=[N-])CN(C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[O-])C1=O by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1OC(C(Cc2ccccc2)N=[N+]=[N-])CN(C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[O-])C1=O
|
CC1OC(C(Cc2ccccc2)N=[N+]=[N-])CN(C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2cccc(C#N)c2)C(=O)[O-])C1=O
|
nitrile
| null |
42e9fee0-7ecd-4d12-a9b7-b1e0e2f20695
|
add
|
Please add a amine to the molecule COc1cc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc(OC)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc(OC)c1.
|
COc1c(NH2)cc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc(OC)c1
|
amine
| null |
83acfd4b-c8d9-4575-bed7-0d0457e8c2da
|
add
|
Modify the molecule CC(CC#N)c1ccc(F)cc1F by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CC#N)c1ccc(F)cc1F
|
CC(c1ccc(F)cc1F)C(C#N)C(=O)O
|
carboxyl
| null |
0fcb9b56-c5ed-47b2-beb8-2755ea787362
|
add
|
Modify the molecule CCC(C(C)O)C1CC(C)(C)OC1(C)C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C(C)O)C1CC(C)(C)OC1(C)C
|
CCC(C(C)O)C1CC(C)(CO)OC1(C)C
|
hydroxyl
| null |
90771557-60c5-405e-ac5d-751494735a3e
|
add
|
Please add a carboxyl to the molecule CCN(c1cc(C(=O)NC(C)c2cccc(Cl)c2)cc(-c2nnc(C(C)([NH3+])Cc3ccccc3)o2)c1)S(C)(=O)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(c1cc(C(=O)NC(C)c2cccc(Cl)c2)cc(-c2nnc(C(C)([NH3+])Cc3ccccc3)o2)c1)S(C)(=O)=O.
|
CCN(c1cc(C(=O)NC(C)c2cccc(Cl)c2)cc(-c2nnc(C(C)([NH3+])Cc3cccc(C(=O)O)c3)o2)c1)S(C)(=O)=O
|
carboxyl
| null |
52e23dad-30fe-4ca3-adeb-ee2830d2a48d
|
add
|
Modify the molecule CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)ccc4n(-c4ccccc4)c3cc21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)ccc4n(-c4ccccc4)c3cc21
|
CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7cccc(O)c7)cc6)cc5)ccc4n(-c4ccccc4)c3cc21
|
hydroxyl
| null |
da7c2d88-a6e0-4a87-a4ba-0c9015c71074
|
add
|
Modify the molecule CCC(CN1CCCCC1=O)[NH2+]CCc1ccc(OS(=O)(=O)C(C)C)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CN1CCCCC1=O)[NH2+]CCc1ccc(OS(=O)(=O)C(C)C)cc1
|
CCC(CN1CCCCC1=O)[NH2+]CC(c1ccccc1)c1ccc(OS(=O)(=O)C(C)C)cc1
|
benzene
| null |
3e1e8238-ea73-437e-b090-40f33421bcbf
|
add
|
Please add a amine to the molecule CSC(=O)C=C1SSC(=CC(=O)SC)S1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSC(=O)C=C1SSC(=CC(=O)SC)S1.
|
CSC(=O)C=C1SSC(=C(N)C(=O)SC)S1
|
amine
| null |
e6a01836-7c74-4641-87aa-0023fd37629b
|
add
|
Please add a hydroxyl to the molecule CC(C)n1cc(C[NH+]2CCc3nc(-c4ccco4)ncc3C2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)n1cc(C[NH+]2CCc3nc(-c4ccco4)ncc3C2)cn1.
|
CC(C)n1ncc(C[NH+]2CCc3nc(-c4ccco4)ncc3C2)c1O
|
hydroxyl
| null |
4e27f462-bf6d-40d1-aefa-c1a4cad2e716
|
add
|
Please add a hydroxyl to the molecule COc1ccc(NC(=O)CN(C)c2nc3c(OC)cccc3s2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(NC(=O)CN(C)c2nc3c(OC)cccc3s2)cc1.
|
COc1cccc2sc(N(C)CC(=O)Nc3ccc(OCO)cc3)nc12
|
hydroxyl
| null |
fc75478c-a731-4930-aee9-047ead766448
|
add
|
Please add a aldehyde to the molecule COc1ccc(C(=O)OCC(=O)NC(C)c2ccc(C)c(C)c2)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(=O)OCC(=O)NC(C)c2ccc(C)c(C)c2)cc1OC.
|
COc1cc(C(=O)OCC(=O)NC(C)c2ccc(C)c(C)c2)ccc1OCCC=O
|
aldehyde
| null |
ad683987-e686-46e2-8123-5989e90ae337
|
add
|
Please add a hydroxyl to the molecule O=C(CN=c1sc2ccccc2n1C(=O)c1ccccc1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CN=c1sc2ccccc2n1C(=O)c1ccccc1)c1ccccc1.
|
O=C(CN=c1sc2ccccc2n1C(=O)c1ccccc1O)c1ccccc1
|
hydroxyl
| null |
9855b37d-a0e6-4aff-8cad-ce8d0e40d709
|
add
|
Please add a amine to the molecule C[NH+]=C(NCc1cccc(N2CC=CC2)c1)NC1CCN(c2c(F)cccc2F)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCc1cccc(N2CC=CC2)c1)NC1CCN(c2c(F)cccc2F)C1.
|
C[NH+]=C(NCc1cccc(N2CC=CC2)c1)NC1CCN(c2c(F)cc(N)cc2F)C1
|
amine
| null |
770d90c0-1e7b-4a4a-8305-e913f1924b2a
|
add
|
Modify the molecule O=S(=O)([O-])OC12CCC(CC1)CC2 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)([O-])OC12CCC(CC1)CC2
|
O=S(=O)([O-])OC12CCC(CC1)CC2O
|
hydroxyl
| null |
208b7bdc-6882-4108-beb9-e3d5a858b16b
|
add
|
Modify the molecule CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1
|
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(CO)c1
|
hydroxyl
| null |
80d3628e-9441-4fd6-a911-8fe725491cde
|
add
|
Please add a hydroxyl to the molecule COC(=O)c1cc(COc2cnc(OC)cc2C=O)c2[nH+]c(Br)cn2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1cc(COc2cnc(OC)cc2C=O)c2[nH+]c(Br)cn2c1.
|
COC(=O)c1cc(COc2cnc(OC)cc2C(=O)O)c2[nH+]c(Br)cn2c1
|
hydroxyl
| null |
8a348c42-7a24-4d9b-b887-bd657637916d
|
add
|
Modify the molecule NC(=O)c1cccn2c(=O)c3ccccc3nc12 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)c1cccn2c(=O)c3ccccc3nc12
|
NC(=O)c1cccn2c(=O)c3ccc(O)cc3nc12
|
hydroxyl
| null |
f4ea222a-14aa-478e-803b-1b8732a3de9e
|
add
|
Modify the molecule CC(NC(=O)N1CCc2ccc(F)cc2C1)c1ccccn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(NC(=O)N1CCc2ccc(F)cc2C1)c1ccccn1
|
CC(NC(=O)N1CCc2ccc(F)cc2C1)c1cccc(O)n1
|
hydroxyl
| null |
67f7c229-008e-4415-8073-b37675448d3d
|
add
|
Please add a aldehyde to the molecule C1=CC23CCCCC(CC2)([NH2+]3)c2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C1=CC23CCCCC(CC2)([NH2+]3)c2ccccc21.
|
O=CCc1cccc2c1C13CCCCC(C=C2)(CC1)[NH2+]3
|
aldehyde
| null |
dd66a283-8120-43ee-bd7c-fb6aa631b356
|
add
|
Modify the molecule CCCCCCCC1CCC(CCCOc2ccc(-c3ncc(CCC)cn3)cc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCC1CCC(CCCOc2ccc(-c3ncc(CCC)cn3)cc2)CC1
|
CCCCC(O)CCC1CCC(CCCOc2ccc(-c3ncc(CCC)cn3)cc2)CC1
|
hydroxyl
| null |
2bdd7c67-7c79-4d95-9359-cb74bf26bb2b
|
add
|
Please add a hydroxyl to the molecule COc1ccc(CC(NC(=O)[O-])c2nc3ccc(F)cc3[nH]2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CC(NC(=O)[O-])c2nc3ccc(F)cc3[nH]2)cc1.
|
COc1ccc(CC(NC(=O)[O-])c2nc3ccc(F)cc3[nH]2)c(O)c1
|
hydroxyl
| null |
b0ab53cf-09f1-4156-8a2a-f1f99b682356
|
add
|
Modify the molecule CCCCC([NH3+])c1cc(OCC)c(OCC)c(OCC)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCC([NH3+])c1cc(OCC)c(OCC)c(OCC)c1
|
CCCCC([NH3+])c1cc(OCC)c(OCC)c(OCC)c1-c1ccccc1
|
benzene
| null |
7f45a3c3-2de5-43ca-8815-48be87b145f1
|
add
|
Please add a aldehyde to the molecule CC(C)Oc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)C2c2cccc(Oc3ccccc3)c2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Oc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)C2c2cccc(Oc3ccccc3)c2)c1.
|
CC(C)Oc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)C2c2cccc(Oc3ccc(C=O)cc3)c2)c1
|
aldehyde
| null |
67959a53-02c3-4598-9ba6-3f2647359a83
|
add
|
Please add a hydroxyl to the molecule Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)ccc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)ccc1F.
|
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(O)cc2)ccc1F
|
hydroxyl
| null |
028144ac-f019-45a1-bb86-7cbb681d66d9
|
add
|
Modify the molecule CCOC(=O)C1CCCN(c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])C1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C1CCCN(c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])C1
|
CCOC(=O)C1CCCN(c2ncnc(Nc3ccc(N=Nc4ccccc4C(=O)O)cc3)c2[N+](=O)[O-])C1
|
carboxyl
| null |
35495a0b-bb7e-43cd-9685-4a22736a247a
|
add
|
Modify the molecule CCC1(C(=O)[O-])CCN(C(=O)CSCC#N)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1(C(=O)[O-])CCN(C(=O)CSCC#N)C1
|
CCC1(C(=O)[O-])CCN(C(=O)CSCC#N)C1O
|
hydroxyl
| null |
d088bae9-bd14-45f1-b4b4-7a54a3ed491c
|
add
|
Please add a hydroxyl to the molecule CC(CC=C[NH+](C)C)=C(C)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CC=C[NH+](C)C)=C(C)c1ccccc1.
|
CC(CC=C[NH+](C)C)=C(CO)c1ccccc1
|
hydroxyl
| null |
a98b08e7-1841-4c67-9a02-310dd19d1a9d
|
add
|
Modify the molecule CCc1cnc(CCNC(NCCNS(C)(=O)=O)=[NH+]C)s1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1cnc(CCNC(NCCNS(C)(=O)=O)=[NH+]C)s1
|
CCc1cnc(CCNC(NCC(NS(C)(=O)=O)c2ccccc2)=[NH+]C)s1
|
benzene
| null |
93651be8-0382-43cb-b092-1171ef9f8672
|
add
|
Please add a benzene ring to the molecule C[NH+]1CCC(Oc2ccc(C(N)=S)cc2Br)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]1CCC(Oc2ccc(C(N)=S)cc2Br)CC1.
|
C[NH+]1CCC(Oc2ccc(C(N)=S)c(-c3ccccc3)c2Br)CC1
|
benzene
| null |
d495f16c-a05e-480e-9d6f-20d4c42890be
|
add
|
Modify the molecule N#CC1(NC(=O)Cc2ccccc2)CCCC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC1(NC(=O)Cc2ccccc2)CCCC1
|
N#CC1(NC(=O)Cc2cccc(O)c2)CCCC1
|
hydroxyl
| null |
c779c6bf-0115-42b9-ae3d-19cee7fd2788
|
add
|
Please add a amine to the molecule c1ccc(Cn2nnnc2SCCCc2nc(-c3cccs3)no2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1ccc(Cn2nnnc2SCCCc2nc(-c3cccs3)no2)cc1.
|
NC(CCc1nc(-c2cccs2)no1)Sc1nnnn1Cc1ccccc1
|
amine
| null |
0a208e0a-f342-42ae-9fda-e02c197d54b8
|
add
|
Modify the molecule O=C(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3F)no2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3F)no2)CC1
|
O=C(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3F)no2)CC1O
|
hydroxyl
| null |
86013dc0-53f8-4a3d-9718-9c4123bf5fcf
|
add
|
Please add a benzene ring to the molecule Cc1noc(C=Cc2cn(CCOc3ccccc3)c3ccccc23)c1[N+](=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1noc(C=Cc2cn(CCOc3ccccc3)c3ccccc23)c1[N+](=O)[O-].
|
Cc1noc(C=Cc2cn(CCOc3ccc(-c4ccccc4)cc3)c3ccccc23)c1[N+](=O)[O-]
|
benzene
| null |
e7d5f344-28f7-4cb2-b97f-371087ad4e77
|
add
|
Please add a benzene ring to the molecule COCCCNc1ncnc(Oc2cc(C)cc(C)c2)c1N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCCNc1ncnc(Oc2cc(C)cc(C)c2)c1N.
|
COC(CCNc1ncnc(Oc2cc(C)cc(C)c2)c1N)c1ccccc1
|
benzene
| null |
88aefe84-2b66-47eb-b722-b447e5c5a393
|
add
|
Please add a hydroxyl to the molecule CCOc1ccccc1C(=O)Nc1cnn(Cc2ccccc2F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccccc1C(=O)Nc1cnn(Cc2ccccc2F)c1.
|
CCOc1ccccc1C(=O)Nc1cnn(Cc2cccc(O)c2F)c1
|
hydroxyl
| null |
0e9c96b7-a474-4fe4-ad51-244ddc772306
|
add
|
Please add a hydroxyl to the molecule Cc1cccc(CC2CC(C(C)(C)C)CCC2C[NH3+])c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(CC2CC(C(C)(C)C)CCC2C[NH3+])c1.
|
Cc1cc(O)cc(CC2CC(C(C)(C)C)CCC2C[NH3+])c1
|
hydroxyl
| null |
840a9035-6a04-41c5-9da3-f4dc03ec8132
|
add
|
Modify the molecule CCCCCCCCCCCCOc1ccc(Sc2ccc(O)cc2)cc1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCCCOc1ccc(Sc2ccc(O)cc2)cc1
|
CCCCC(CC=O)CCCCCCCOc1ccc(Sc2ccc(O)cc2)cc1
|
aldehyde
| null |
3395a47f-f6bb-43e0-b9f9-5cd3c2a7e319
|
add
|
Please add a aldehyde to the molecule CN(C)c1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)c1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1.
|
CN(C)c1ccc(C(=O)NCC(=O)Nc2cc(CC=O)c(F)c(F)c2F)cc1
|
aldehyde
| null |
d389507f-c05c-4251-a42d-174bebbf8c86
|
add
|
Modify the molecule O=C(Nc1ccc(F)cc1OCC1CC1)N1CCn2c(n[nH]c2=O)C1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccc(F)cc1OCC1CC1)N1CCn2c(n[nH]c2=O)C1
|
N#CC1CN(C(=O)Nc2ccc(F)cc2OCC2CC2)Cc2n[nH]c(=O)n21
|
nitrile
| null |
29911b32-e00c-4d63-aff9-3da88a1624ab
|
add
|
Modify the molecule CCN(CC)C(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)cc3C(N)=O)C(C)C)CC2)ccc1Cl by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CC)C(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)cc3C(N)=O)C(C)C)CC2)ccc1Cl
|
CCN(CC)C(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(O)(C(=O)Nc3ccc(Cl)cc3C(N)=O)C(C)C)CC2)ccc1Cl
|
hydroxyl
| null |
e59566c1-f77a-4e9e-830a-bbab46159915
|
add
|
Please add a aldehyde to the molecule COCCCN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCCN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1.
|
COCCCN(C1Cc2cc(C#N)c(CC=O)cc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1
|
aldehyde
| null |
a0ca642a-4c8b-46d5-879b-3814bb1b9f51
|
add
|
Modify the molecule CC(=NNC(=O)COc1cccc(C)c1)c1ccc(O)cc1O by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=NNC(=O)COc1cccc(C)c1)c1ccc(O)cc1O
|
CC(=NNC(=O)COc1cccc(C)c1)c1cc(CC=O)c(O)cc1O
|
aldehyde
| null |
e46409af-87d3-4a6b-9859-4630f5ab08ac
|
add
|
Please add a benzene ring to the molecule COc1cccc(F)c1COCC1CCC[NH2+]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(F)c1COCC1CCC[NH2+]1.
|
COc1cccc(F)c1COCC1(c2ccccc2)CCC[NH2+]1
|
benzene
| null |
595ddbd4-63c8-4b6a-bb97-f2ea27468f47
|
add
|
Modify the molecule CN(CCc1ccccn1)c1nc(NN)ncc1Cl by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CCc1ccccn1)c1nc(NN)ncc1Cl
|
CN(CCc1cccc(C(=O)O)n1)c1nc(NN)ncc1Cl
|
carboxyl
| null |
59e12609-c68f-4ba3-ad91-a41895e49d2c
|
add
|
Modify the molecule CCN(CCNC(NCc1cccc(C(=O)NC)c1)=[NH+]C)c1cccc(C)c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CCNC(NCc1cccc(C(=O)NC)c1)=[NH+]C)c1cccc(C)c1
|
CNC(=O)c1cccc(CNC(NCCN(CCN)c2cccc(C)c2)=[NH+]C)c1
|
amine
| null |
8fee30c4-88c1-42af-ba17-aa435dd44d7a
|
add
|
Please add a benzene ring to the molecule O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CCN(C(=O)C=Cc2ccccc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CCN(C(=O)C=Cc2ccccc2)CC1.
|
O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CCN(C(=O)C=Cc2ccccc2)CC1c1ccccc1
|
benzene
| null |
6ac8108b-353f-4ade-8a5b-415a8f1c3af5
|
add
|
Please add a benzene ring to the molecule C[NH2+]C(C)CCC1=CCC=CCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C(C)CCC1=CCC=CCC1.
|
C[NH2+]C(C)CCC1=CCC=C(c2ccccc2)CC1
|
benzene
| null |
103497be-1e99-4daf-888e-f41016bc8852
|
add
|
Modify the molecule CCc1cccc2c1N(C)CCCN2CC(=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1cccc2c1N(C)CCCN2CC(=O)[O-]
|
CCc1cccc2c1N(C)CC(c1ccccc1)CN2CC(=O)[O-]
|
benzene
| null |
2abd3a4c-9260-4e72-86fb-19f57d515feb
|
add
|
Modify the molecule CC1C[NH2+]CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1C[NH2+]CCN1C(=O)c1cc(Br)c2c(c1)OCCO2
|
CC1C[NH2+]CC(c2ccccc2)N1C(=O)c1cc(Br)c2c(c1)OCCO2
|
benzene
| null |
6030570e-7b7c-4891-9ba7-3410047e279a
|
add
|
Please add a carboxyl to the molecule Cc1ccc(N(C)C(=O)c2ccn3ncc(-c4ccc(CF)cc4)c3c2)nc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(N(C)C(=O)c2ccn3ncc(-c4ccc(CF)cc4)c3c2)nc1.
|
Cc1ccc(N(C)C(=O)c2cc3c(-c4ccc(CF)cc4)cnn3cc2C(=O)O)nc1
|
carboxyl
| null |
7d9d2551-d431-43cf-b7fc-88d05d3638cb
|
add
|
Please add a carboxyl to the molecule CC(C)(C)[Si](C)(C)OCC1C[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(=O)nc(NC(=O)COc4ccccc4)[nH]c32)O1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)[Si](C)(C)OCC1C[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(=O)nc(NC(=O)COc4ccccc4)[nH]c32)O1.
|
CC(C)(C)[Si](C)(C)OC(C(=O)O)C1C[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(=O)nc(NC(=O)COc4ccccc4)[nH]c32)O1
|
carboxyl
| null |
c0f74d3d-d9ec-4a22-b005-82de64a0fa6e
|
add
|
Please add a benzene ring to the molecule CC1=CC(=C(c2cccs2)c2ccc(C(=C3C=C(c4ccccc4)C(=O)C(c4ccccc4)=C3)c3cccs3)s2)C=C(C)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1=CC(=C(c2cccs2)c2ccc(C(=C3C=C(c4ccccc4)C(=O)C(c4ccccc4)=C3)c3cccs3)s2)C=C(C)C1=O.
|
CC1=CC(=C(c2cccs2)c2ccc(C(=C3C=C(c4ccccc4)C(=O)C(c4cccc(-c5ccccc5)c4)=C3)c3cccs3)s2)C=C(C)C1=O
|
benzene
| null |
09692ffb-98b7-4df2-b31b-20b936921a26
|
add
|
Please add a hydroxyl to the molecule Cc1cc(C[NH2+]C(C)C)cc(N(CC(C)C)C2CC2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C[NH2+]C(C)C)cc(N(CC(C)C)C2CC2)n1.
|
Cc1cc(C[NH2+]C(C)(C)O)cc(N(CC(C)C)C2CC2)n1
|
hydroxyl
| null |
50b3f770-73ba-4638-9a79-c76f4a74f2ba
|
add
|
Please add a aldehyde to the molecule Cn1cncc1C[NH2+]C1CCC2CC21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cncc1C[NH2+]C1CCC2CC21.
|
Cn1cncc1C[NH2+]C1CC(CC=O)C2CC12
|
aldehyde
| null |
106bf72e-991f-4867-a538-73494ddbcd7d
|
add
|
Please add a hydroxyl to the molecule COc1ccc(-c2csc(CCC(=O)Nc3ccc(N(C)C)cc3)n2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2csc(CCC(=O)Nc3ccc(N(C)C)cc3)n2)cc1.
|
COc1ccc(-c2csc(CCC(=O)Nc3ccc(N(C)CO)cc3)n2)cc1
|
hydroxyl
| null |
b0cd675e-81af-49a1-bc55-46b2ba3fd05a
|
add
|
Modify the molecule CS(=O)(=O)c1cccc(C(=O)OCCc2cc3cc(Br)ccc3o2)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)c1cccc(C(=O)OCCc2cc3cc(Br)ccc3o2)c1
|
CS(=O)(=O)c1cccc(C(=O)OCCc2cc3cc(Br)ccc3o2)c1O
|
hydroxyl
| null |
7309fea3-ebb8-4c44-abf7-95dc16c0b645
|
add
|
Please add a carboxyl to the molecule CCN(CCC(=O)OC)c1nccc(C)c1[N+](=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CCC(=O)OC)c1nccc(C)c1[N+](=O)[O-].
|
CCN(CCC(=O)OCC(=O)O)c1nccc(C)c1[N+](=O)[O-]
|
carboxyl
| null |
58a7a367-09d0-4e0b-b62f-013d5ab7196a
|
add
|
Please add a hydroxyl to the molecule CC1CC2C3CCC4=CC(=O)CCC4(C)C3=CCC2(C)C1C(=O)C[NH+]1CCN(C)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC2C3CCC4=CC(=O)CCC4(C)C3=CCC2(C)C1C(=O)C[NH+]1CCN(C)CC1.
|
CC1C(O)C2C3CCC4=CC(=O)CCC4(C)C3=CCC2(C)C1C(=O)C[NH+]1CCN(C)CC1
|
hydroxyl
| null |
d0c2abd0-2969-4140-8bf2-7a2bd72a6e09
|
add
|
Modify the molecule CC(=O)NCCN(C)S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)n2)cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)NCCN(C)S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)n2)cc1
|
CC(=O)NCCN(C)S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(=O)CC(=O)O)CC4)cc3)n2)cc1
|
carboxyl
| null |
8c209c57-a5af-4a76-ac7d-74dd4275c630
|
add
|
Modify the molecule CC1C(c2ccccc2)c2ccccc2C1(C)c1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1C(c2ccccc2)c2ccccc2C1(C)c1ccccc1
|
CC1C(C)(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1
|
benzene
| null |
c0589078-7c54-4dc3-80ba-15a073377aba
|
add
|
Please add a hydroxyl to the molecule CC1(CCNS(=O)(=O)CCc2ccccc2)OCCO1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(CCNS(=O)(=O)CCc2ccccc2)OCCO1.
|
CC1(CCNS(=O)(=O)CCc2ccccc2O)OCCO1
|
hydroxyl
| null |
cc77532c-9ccc-4e03-b53c-555ff7137c67
|
add
|
Please add a hydroxyl to the molecule C=Cc1cccc(OCCC)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=Cc1cccc(OCCC)c1.
|
C=C(O)c1cccc(OCCC)c1
|
hydroxyl
| null |
10db4873-f27e-4905-80f3-65304a7f039c
|
add
|
Modify the molecule CNc1c(C)nc(N2CC3C4C=CC(CC4)C3C2)nc1C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1c(C)nc(N2CC3C4C=CC(CC4)C3C2)nc1C
|
CNc1c(C)nc(N2CC3C4C=CC(CC4)C3C2)nc1Cc1ccccc1
|
benzene
| null |
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